[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

C14H15N3O2 — CID 79031682

IUPAC[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CC[C@H](O)C1
InChIInChI=1S/C14H15N3O2/c18-11-6-7-17(9-11)14(19)13-8-12(15-16-13)10-4-2-1-3-5-10/h1-5,8,11,18H,6-7,9H2,(H,15,16)/t11-/m0/s1
InChIKeyQVKAPERLIHORQP-NSHDSACASA-N
MW257.29 g/mol
LogP1.28
Rot. Bonds2

About [(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (PubChem CID 79031682) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is [(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
PubChem CID79031682
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CC[C@H](O)C1
InChIInChI=1S/C14H15N3O2/c18-11-6-7-17(9-11)14(19)13-8-12(15-16-13)10-4-2-1-3-5-10/h1-5,8,11,18H,6-7,9H2,(H,15,16)/t11-/m0/s1
InChIKeyQVKAPERLIHORQP-NSHDSACASA-N
XLogP1.28
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (CID 79031682) is [(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[C@H](O)C1.
What is the InChIKey of [(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is QVKAPERLIHORQP-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N3O2/c18-11-6-7-17(9-11)14(19)13-8-12(15-16-13)10-4-2-1-3-5-10/h1-5,8,11,18H,6-7,9H2,(H,15,16)/t11-/m0/s1.
What are the key properties of [(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 257.29 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 79031682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).